N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C24H25FN6O2 — CID 118226480

IUPACN-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4c(C)nn(C)c4cc3N3CCC(F)CC3)co2)ccn1
InChIInChI=1S/C24H25FN6O2/c1-14-10-16(4-7-26-14)24-28-20(13-33-24)23(32)27-19-11-18-15(2)29-30(3)21(18)12-22(19)31-8-5-17(25)6-9-31/h4,7,10-13,17H,5-6,8-9H2,1-3H3,(H,27,32)
InChIKeyMEXPKNCEBQPVGJ-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.43
Rot. Bonds4

About N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 118226480) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID118226480
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC NameN-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4c(C)nn(C)c4cc3N3CCC(F)CC3)co2)ccn1
InChIInChI=1S/C24H25FN6O2/c1-14-10-16(4-7-26-14)24-28-20(13-33-24)23(32)27-19-11-18-15(2)29-30(3)21(18)12-22(19)31-8-5-17(25)6-9-31/h4,7,10-13,17H,5-6,8-9H2,1-3H3,(H,27,32)
InChIKeyMEXPKNCEBQPVGJ-UHFFFAOYSA-N
XLogP4.43
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 118226480) is N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4c(C)nn(C)c4cc3N3CCC(F)CC3)co2)ccn1.
What is the InChIKey of N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MEXPKNCEBQPVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-14-10-16(4-7-26-14)24-28-20(13-33-24)23(32)27-19-11-18-15(2)29-30(3)21(18)12-22(19)31-8-5-17(25)6-9-31/h4,7,10-13,17H,5-6,8-9H2,1-3H3,(H,27,32).
What are the key properties of N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118226480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).